NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9713 8.3393 109.7397 44.4412 0.0000 173.5571 0 P 4.2973 0.0000 0.0000 62.3415 32.1510 174.1602 1 T 4.7553 9.1263 118.0413 62.9644 71.4278 174.4783 2 Y 5.1690 9.6813 123.5758 56.3395 41.6510 175.1467 3 V 5.0573 8.9805 115.3732 59.6173 36.2644 174.1134 4 Q 4.7516 8.8419 122.5807 53.8573 32.1465 174.4137 5 A 4.3204 8.3268 128.1917 52.2751 18.8578 178.1307 6 L 4.0182 9.0264 122.6953 55.8222 42.7916 177.1419 7 F 5.0215 8.0418 114.9742 55.3080 43.0540 174.6192 8 D 4.9059 9.0681 121.3463 54.5939 41.8934 175.6439 9 F 4.6963 9.1829 124.8479 56.4290 42.3343 172.7997 10 D 4.6318 7.9783 126.2833 51.5697 42.1066 174.2944 11 P 4.0850 0.0000 0.0000 63.0703 31.8320 176.1582 12 Q 4.4974 9.2774 120.1528 55.5984 31.0123 175.3833 13 E 4.7707 7.8618 115.8956 53.6656 33.3727 174.6466 14 D 4.3190 8.4700 120.0908 56.2779 41.3731 177.7064 15 G 3.9805 8.9306 110.1486 45.5195 0.0000 172.6759 16 E 5.0578 7.6675 119.2828 55.6220 30.8314 175.7276 17 L 4.6456 9.1800 126.3503 53.8700 42.9819 176.4070 18 G 4.1161 8.8274 113.9816 46.0853 0.0000 172.0464 19 F 5.2442 8.1217 115.2607 56.0415 41.8983 172.7122 20 R 5.2695 9.5457 116.0337 53.8173 32.8359 175.4343 21 R 4.2457 8.9348 119.1353 58.4735 30.4565 177.2475 22 G 3.8870 8.7524 110.8608 45.1686 0.0000 173.7799 23 D 4.4995 7.8121 119.9679 54.6393 42.0397 175.5619 24 F 5.0107 8.8708 121.3524 56.5067 40.3719 175.0970 25 I 4.6014 8.7832 125.2544 59.5509 39.9271 174.2944 26 H 3.7720 8.8131 127.8288 55.3134 30.8091 174.2551 27 V 4.3033 8.3734 127.6292 62.9042 30.9896 175.2930 28 M 4.2016 9.0628 129.1689 56.9804 33.3623 176.7424 29 D 4.5200 7.8220 118.7430 52.4469 44.6631 175.4220 30 N 4.3254 8.2077 125.0670 52.0742 37.6797 175.9919 31 S 4.1447 8.8488 116.8250 61.5791 63.1767 173.8321 32 D 4.8182 7.9523 120.7608 52.2282 41.9771 174.9148 33 P 4.4688 0.0000 0.0000 64.5677 32.0914 176.2145 34 N 4.6127 8.3882 115.6563 53.6554 41.7490 174.3249 35 W 4.8191 8.7684 118.2574 54.6216 31.2109 175.6523 36 W 5.0703 8.3735 124.9654 54.7541 32.0704 174.7576 37 K 5.0353 9.0143 124.1982 55.5029 33.4448 175.7466 38 G 4.8082 9.8040 113.4306 44.8825 0.0000 170.6933 39 A 5.4507 8.8947 120.9967 50.2584 22.5330 175.1441 40 C 4.7457 9.3307 121.4680 58.9089 35.5493 173.5809 41 H 3.7576 10.1158 126.5733 57.3697 27.8412 175.1567 42 G 4.0042 8.5020 104.2337 45.3703 0.0000 173.2679 43 Q 4.9850 7.9680 118.8021 54.2099 31.8426 174.7488 44 T 5.1548 8.8110 110.8144 59.7709 72.3855 173.1001 45 G 4.1376 8.3145 109.4015 46.8720 0.0000 171.2825 46 M 5.4365 8.6706 120.1064 54.8706 33.5417 176.1090 47 F 5.2188 9.2105 116.9293 54.4793 42.4422 171.8588 48 P 3.5182 0.0000 0.0000 61.5800 31.8781 177.6564 49 R 3.2273 7.9739 120.6450 58.5206 29.2304 177.9274 50 N 4.5127 7.6936 113.4871 54.1557 37.6448 174.7522 51 Y 4.5875 8.1887 116.8902 58.2676 38.4955 175.1323 52 V 4.9058 7.5155 112.2225 59.8005 35.9232 174.2340 53 T 4.8285 8.5917 114.6786 59.9292 71.1081 172.8929 54 A 4.1831 8.7395 127.5035 52.6693 18.6753 176.3462 55 V 4.2254 8.6494 119.9679 62.8556 32.5040 175.6621 56 N 4.6451 7.9996 122.8636 52.8863 37.3854 174.4847 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ -1 G 8.34 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 P 0.00 4.30 0.00 2.29 1.98 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 1 T 9.13 4.76 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 2 Y 9.68 5.17 0.00 2.92 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.98 5.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.98 0.00 0.00 4 Q 8.84 4.75 0.00 1.64 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.00 0.00 0.00 0.00 0.00 0.00 1.89 1.82 0.00 5 A 8.33 4.32 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.03 4.02 0.00 1.43 1.09 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 7 F 8.04 5.02 0.00 2.66 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 D 9.07 4.91 0.00 2.69 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 F 9.18 4.70 0.00 2.40 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 7.98 4.63 0.00 2.53 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.09 0.00 1.98 1.94 0.00 3.47 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.12 0.00 12 Q 9.28 4.50 0.00 1.94 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.70 0.00 0.00 0.00 0.00 0.00 2.18 2.27 0.00 13 E 7.86 4.77 0.00 1.94 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.12 0.00 14 D 8.47 4.32 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.93 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.67 5.06 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 17 L 9.18 4.65 0.00 1.96 1.97 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 18 G 8.83 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 F 8.12 5.24 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 9.55 5.27 0.00 2.04 2.12 0.00 2.83 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 21 R 8.93 4.25 0.00 1.80 1.88 0.00 3.11 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.81 0.00 22 G 8.75 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.81 4.50 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 F 8.87 5.01 0.00 3.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 I 8.78 4.60 1.46 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.49 0.41 0.00 0.00 26 H 8.81 3.77 0.00 2.56 3.11 0.00 5.77 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 8.37 4.30 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 1.15 0.00 0.00 28 M 9.06 4.20 0.00 1.85 2.17 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.30 0.00 29 D 7.82 4.52 0.00 2.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.21 4.33 0.00 1.44 1.42 0.00 0.00 6.31 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.85 4.14 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 D 7.95 4.82 0.00 2.88 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 P 0.00 4.47 0.00 2.26 2.24 0.00 3.84 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.04 0.00 34 N 8.39 4.61 0.00 2.78 2.70 0.00 0.00 6.67 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 W 8.77 4.82 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 W 8.37 5.07 0.00 2.03 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 K 9.01 5.04 0.00 1.88 1.71 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 38 G 9.80 4.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.89 5.45 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 9.33 4.75 0.00 2.99 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 H 10.12 3.76 0.00 3.33 3.36 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Q 7.97 4.98 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 44 T 8.81 5.15 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 45 G 8.31 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 M 8.67 5.44 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.83 0.00 47 F 9.21 5.22 0.00 3.10 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 3.52 0.00 1.84 0.76 0.00 2.31 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.44 0.00 49 R 7.97 3.23 0.00 0.67 0.96 0.00 2.49 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.09 0.00 50 N 7.69 4.51 0.00 2.76 2.85 0.00 0.00 5.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.19 4.59 0.00 3.28 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.52 4.91 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 1.09 0.00 0.00 53 T 8.59 4.83 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 54 A 8.74 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 8.65 4.23 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.12 0.00 0.00 56 N 8.00 4.65 0.00 2.89 2.80 0.00 0.00 5.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00